CID 3045845

1h-imidazo(1,2-a)(1,4)benzodiazepin-1-one, 2,4-dihydro-8-chloro-2-(((2-(diethylamino)ethyl)amino)methylene)-6-phenyl-

Structural Information

Molecular Formula
C24H26ClN5O
SMILES
CCN(CC)CCN=CC1=C(N2C(=N1)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4)O
InChI
InChI=1S/C24H26ClN5O/c1-3-29(4-2)13-12-26-15-20-24(31)30-21-11-10-18(25)14-19(21)23(27-16-22(30)28-20)17-8-6-5-7-9-17/h5-11,14-15,31H,3-4,12-13,16H2,1-2H3
InChIKey
QTXGSRNKDJFITB-UHFFFAOYSA-N
Compound name
8-chloro-2-[2-(diethylamino)ethyliminomethyl]-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

435.1826 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.18988 209.0
[M+Na]+ 458.17182 217.9
[M-H]- 434.17532 216.2
[M+NH4]+ 453.21642 219.5
[M+K]+ 474.14576 214.8
[M+H-H2O]+ 418.17986 197.4
[M+HCOO]- 480.18080 224.4
[M+CH3COO]- 494.19645 217.5
[M+Na-2H]- 456.15727 211.0
[M]+ 435.18205 212.7
[M]- 435.18315 212.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.